D336-5981 Screening compound: ethyl 2-{[6-(2,2-dimethylpropanamido)-1,3-benzothiazol-2-yl]sulfanyl}acetate

D336-5981 Screening compound: ethyl 2-{[6-(2,2-dimethylpropanamido)-1,3-benzothiazol-2-yl]sulfanyl}acetate
D336-5981 Screening compound: ethyl 2-{[6-(2,2-dimethylpropanamido)-1,3-benzothiazol-2-yl]sulfanyl}acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound D336-5981
ethyl 2-{[6-(2,2-dimethylpropanamido)-1,3-benzothiazol-2-yl]sulfanyl}acetate

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

D336-5981

Molecular Formula

C16H20N2O3S2 (C16 H20 N2 O3 S2)

Compound Name

ethyl 2-{[6-(2,2-dimethylpropanamido)-1,3-benzothiazol-2-yl]sulfanyl}acetate

IUPAC name

ethyl 2-{[6-(22-dimethylpropanamido)-13-benzothiazol-2-yl]sulfanyl}acetate

SMILES

CCOC(CSc1nc(ccc(NC(C(C)(C)C)=O)c2)c2s1)=O

InChI

InChI=1S/C16H20N2O3S2/c1-5-21-13(19)9-22-15-18-11-7-6-10(8-12(11)23-15)17-14(20)16(2,3)4/h6-8H,5,9H2,1-4H3,(H,17,20)

InChI Key

CXSNNDDOSOMJHL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14820155

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

352.48

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.942

Distribution Coefficient, logD

3.942

Water Solubility, LogSw

-3.88

Polar Surface Area

52.841

Acid Dissociation Constant (pKa)

11.26

Base Dissociation Constant (pKb)

1.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

43.80

References: we are preparing a list of scientific research reports with D336-5981 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D336-5981?
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What is the minimum amount of D336-5981 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D336-5981
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D336-5981
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of D336-5981 available by request